CID 23426979

Clavirolide d

Structural Information

Molecular Formula
C20H28O3
SMILES
C[C@H]1C[C@@H]2[C@@H]3C(=C(C(=O)O2)C)CC[C@]3(CC/C(=C\C(=O)C1)/C)C
InChI
InChI=1S/C20H28O3/c1-12-5-7-20(4)8-6-16-14(3)19(22)23-17(18(16)20)11-13(2)10-15(21)9-12/h9,13,17-18H,5-8,10-11H2,1-4H3/b12-9-/t13-,17-,18+,20-/m1/s1
InChIKey
LVOOBOPNPZHQFG-WAUGQQQZSA-N
Compound name
(1R,3S,6Z,10R,17S)-3,7,10,14-tetramethyl-16-oxatricyclo[8.6.1.013,17]heptadeca-6,13-diene-5,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.20386 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 173.2
[M+Na]+ 339.19308 180.5
[M-H]- 315.19658 176.0
[M+NH4]+ 334.23768 190.7
[M+K]+ 355.16702 178.2
[M+H-H2O]+ 299.20112 171.7
[M+HCOO]- 361.20206 186.3
[M+CH3COO]- 375.21771 206.5
[M+Na-2H]- 337.17853 172.3
[M]+ 316.20331 170.2
[M]- 316.20441 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.